(3Z)-3-(butylaminomethylidene)-5-(2-chlorophenyl)-1-methyl-7-nitro-1,4-benzodiazepin-2-one

Systemtic Name: (3Z)-3-(butylaminomethylidene)-5-(2-chlorophenyl)-1-methyl-7-nitro-1,4-benzodiazepin-2-one Openeye Name: (3Z)-3-(butylaminomethylene)-5-(2-chlorophenyl)-1-methyl-7-nitro-1,4-benzodiazepin-2-one CAS Name: (3Z)-3-(butylaminomethylidene)-5-(2-chlorophenyl)-1-methyl-7-nitro-1,4-benzodiazepin-2-one IUPAC Name: (3Z)-3-(butylaminomethylidene)-5-(2-chlorophenyl)-1-methyl-7-nitro-1,4-benzodiazepin-2-one Traditional Name: (3Z)-3-(butylaminomethylene)-5-(2-chlorophenyl)-1-methyl-7-nitro-1,4-benzodiazepin-2-one Formula: C21H21ClN4O3 MolecularWeight: 412.86944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC=C1C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)C

Isomeric SMILES

CCCCN/C=C\1/C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)C

InChI

InChI=1S/C21H21ClN4O3/c1-3-4-11-23-13-18-21(27)25(2)19-10-9-14(26(28)29)12-16(19)20(24-18)15-7-5-6-8-17(15)22/h5-10,12-13,23H,3-4,11H2,1-2H3/b18-13-